Metabolomics Structure Database

 
MW REGNO: 43325
Common Name:Fluvastatin
Systematic Name:(3S,5R,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
411.1846 (neutral)    Calculate m/z:
Formula:C24H26FNO4
InChIKey:FJLGEFLZQAZZCD-JUFISIKESA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyrroles [C0000090]
ClassyFire subclass:Substituted pyrroles [C0002257]
ClassyFire direct parent:Phenylpyrroles [C0002334]
MoNA MS spectra:View MS spectra
SMILES:CC(C)n1c2ccccc2c(c2ccc(cc2)F)c1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O
Studies:-

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External database links:

PubChem CID:1548972
CHEBI ID:5136
HMDB ID:HMDB0015227
KEGG ID:C07014
Chemspider ID:1265982
EPA CompTox DB:DTXCID90810372
Plant Metabolite Hub(Pmhub):MS000002616

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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